N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C10H15F3N4S — CID 107304686

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCN1CCCC1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4S/c1-2-17-5-3-4-7(17)6-14-9-15-8(16-18-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16)
InChIKeyMRAWGNRFECDVPX-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.45
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304686) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304686
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCN1CCCC1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4S/c1-2-17-5-3-4-7(17)6-14-9-15-8(16-18-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16)
InChIKeyMRAWGNRFECDVPX-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 122149506
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65267507
N'-cyclopropyl-N'-ethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105967748
2-N-cyclopropyl-2-N-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 105968559
N'-ethyl-N'-propyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105969391
N'-butan-2-yl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105970127
N-octan-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106026591
1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,4-diamine
CID 106127410
3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine
CID 106286922
N'-propan-2-yl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304462
N'-cyclopentyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304464
5-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
CID 107304475

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304686) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCN1CCCC1CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MRAWGNRFECDVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-2-17-5-3-4-7(17)6-14-9-15-8(16-18-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 280.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).